4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine

C11H20N4OS — CID 103383326

IUPAC4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1N(C)CC1CCCN1C
InChIInChI=1S/C11H20N4OS/c1-14-6-4-5-8(14)7-15(2)11-9(16-3)10(12)13-17-11/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyMDJQGYFAHLQICZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.26
Rot. Bonds4

About 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine

4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103383326) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103383326
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1N(C)CC1CCCN1C
InChIInChI=1S/C11H20N4OS/c1-14-6-4-5-8(14)7-15(2)11-9(16-3)10(12)13-17-11/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyMDJQGYFAHLQICZ-UHFFFAOYSA-N
XLogP1.26
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103383325
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848203
5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103382051
6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848516
4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103362242
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848122
2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80835728
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848121
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772433
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 79312814
4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80991832
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848913

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103383326) is 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine is COc1c(N)nsc1N(C)CC1CCCN1C.
What is the InChIKey of 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is MDJQGYFAHLQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-14-6-4-5-8(14)7-15(2)11-9(16-3)10(12)13-17-11/h8H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 256.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103383326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).